ethyl 1-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carbonyl]isonipecotic acid ethyl ester Formula: C26H28N4O5 MolecularWeight: 476.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=NN2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)C)C

InChI

InChI=1S/C26H28N4O5/c1-4-35-26(32)19-10-12-28(13-11-19)25(31)24-16-23(20-9-8-17(2)18(3)14-20)27-29(24)21-6-5-7-22(15-21)30(33)34/h5-9,14-16,19H,4,10-13H2,1-3H3